(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine

C12H14FNO — CID 117295806

IUPAC(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)ccc1OC1CC1
InChIInChI=1S/C12H14FNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h1-3,6,8,11H,4-5,7,14H2/b2-1+
InChIKeyZSTYNVCBEFORLV-OWOJBTEDSA-N
MW207.25 g/mol
LogP2.34
Rot. Bonds4

About (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine

(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine (PubChem CID 117295806) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine
PubChem CID117295806
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine
SMILESNC/C=C/c1cc(F)ccc1OC1CC1
InChIInChI=1S/C12H14FNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h1-3,6,8,11H,4-5,7,14H2/b2-1+
InChIKeyZSTYNVCBEFORLV-OWOJBTEDSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2-(cyclopropylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
CID 117315957
(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine
CID 117338379
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117338381
(E)-3-(3-chloro-4-cyclopentyloxyphenyl)prop-2-en-1-amine
CID 117382839
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
CID 117281499
ethyl 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]but-3-enoate
CID 170796909
2-[2-(3-aminoprop-1-enyl)-4-fluorophenyl]acetonitrile
CID 169463897
3-amino-2-(2-cyclobutyloxy-5-fluorophenyl)propanoic acid
CID 117385574
2-(4-ethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990440

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine (CID 117295806) is (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine is NC/C=C/c1cc(F)ccc1OC1CC1.
What is the InChIKey of (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine?
The InChIKey is ZSTYNVCBEFORLV-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-3-6-12(15-11-4-5-11)9(8-10)2-1-7-14/h1-3,6,8,11H,4-5,7,14H2/b2-1+.
What are the key properties of (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine?
(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine has a molecular weight of 207.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 117295806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).